3-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-2-carboxamide

C20H20BrN3O — CID 46435453

IUPAC3-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccccc2N2CCCC2)c(Br)c2ccccc21
InChIInChI=1S/C20H20BrN3O/c1-23-16-10-4-2-8-14(16)18(21)19(23)20(25)22-15-9-3-5-11-17(15)24-12-6-7-13-24/h2-5,8-11H,6-7,12-13H2,1H3,(H,22,25)
InChIKeyHHCHKJKWAJUJLG-UHFFFAOYSA-N
MW398.30 g/mol
LogP4.79
Rot. Bonds3

About 3-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-2-carboxamide

3-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-2-carboxamide (PubChem CID 46435453) has the molecular formula C20H20BrN3O and a molecular weight of 398.30 g/mol. Its IUPAC name is 3-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-2-carboxamide.

Molecular Properties

Compound Name3-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-2-carboxamide
PubChem CID46435453
Molecular FormulaC20H20BrN3O
Molecular Weight398.30 g/mol
Exact Mass397.08
IUPAC Name3-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccccc2N2CCCC2)c(Br)c2ccccc21
InChIInChI=1S/C20H20BrN3O/c1-23-16-10-4-2-8-14(16)18(21)19(23)20(25)22-15-9-3-5-11-17(15)24-12-6-7-13-24/h2-5,8-11H,6-7,12-13H2,1H3,(H,22,25)
InChIKeyHHCHKJKWAJUJLG-UHFFFAOYSA-N
XLogP4.79
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.30
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-2-carboxamide?
The IUPAC name of 3-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-2-carboxamide (CID 46435453) is 3-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-2-carboxamide.
What is the SMILES notation for 3-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-2-carboxamide?
The canonical SMILES for 3-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-2-carboxamide is Cn1c(C(=O)Nc2ccccc2N2CCCC2)c(Br)c2ccccc21.
What is the InChIKey of 3-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-2-carboxamide?
The InChIKey is HHCHKJKWAJUJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O/c1-23-16-10-4-2-8-14(16)18(21)19(23)20(25)22-15-9-3-5-11-17(15)24-12-6-7-13-24/h2-5,8-11H,6-7,12-13H2,1H3,(H,22,25).
What are the key properties of 3-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-2-carboxamide?
3-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-2-carboxamide has a molecular weight of 398.30 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-2-carboxamide is sourced from PubChem (CID 46435453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).